ethyl 2-bromo-1,3-thiazole-4-carboxylate

ethyl 2-bromo-1,3-thiazole-4-carboxylate

CAS: 100367-77-9

Formula: C6H6BrNO2S

SMILES: CCOC(=O)C1=CSC(Br)=N1

IUPAC: ethyl 2-bromo-1,3-thiazole-4-carboxylate

InChI: InChI=1S/C6H6BrNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3

Composition: C (30.53%), H (2.56%), Br (33.85%), N (5.93%), O (13.55%), S (13.58%)

Molar Mass: 236.08

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.930263
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CNHISCQPKKGDPO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.29
Topological Polar Surface Area	39.19
Polarizability	17.62
Ring Count	1
Rotatable Bond Count	3

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